SCHEMBL7606181

SCHEMBL7606181

O=C(Nc1cccnc1)c1c(OCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.55
SGMS2 Q8NHU3 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
SRPK3 Q9UPE1 1/20 0.49
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NAMPT P43490 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7606069 0.96 HDAC6 (0.53) LRRK2SGMS2HDAC1HDAC6SRPK3
SCHEMBL7611336 0.91 LRRK2 (0.55) LRRK2SGMS2HDAC1HDAC6POLB
SCHEMBL7612625 0.90 SGMS2 (0.50) LRRK2SGMS2HDAC1HDAC6SRPK3
SCHEMBL7608461 0.90 LRRK2 (0.59) LRRK2SGMS2HDAC1HDAC6SRPK3
SCHEMBL7607089 0.90 LRRK2 (0.52) LRRK2SGMS2HDAC1HDAC6SRPK3
SCHEMBL7613476 0.89 HDAC1 (0.49) LRRK2SGMS2HDAC1HDAC6POLB
SCHEMBL7609787 0.88 HDAC1 (0.53) HDAC1HDAC6POLBNAMPTMEN1
SCHEMBL7608933 0.88 CCR2 (0.48) LRRK2SGMS2HDAC6POLBCYP11B1
SCHEMBL7607146 0.87 LRRK2 (0.50) LRRK2SGMS2HDAC1HDAC6SRPK3
SCHEMBL7606217 0.87 LRRK2 (0.50) LRRK2SGMS2HDAC1HDAC6SRPK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US claimed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 US claimed
WO-2003105902-A1 TREATMENT FOR DEPRESSION AND ANXIETY BY THE COMBINATION OF A PDE IV INHIBITOR AND AN ANTIDEPRESSANT OR AN ANXIOLYTIC AGENT PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US disclosed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment PDE3A, PDE3B, PDE4A LRRK2 4594/4885SGMS2 1912/4885HDAC1 45/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.